SCHEMBL15034849

SCHEMBL15034849

CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(Cc5cncnc5-c5nccs5)c4n3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.46
PAK4 O96013 2/20 0.46
MAP4K1 Q92918 4/20 0.42
WEE1 P30291 3/20 0.41
PTK2 Q05397 1/20 0.40
PAK1 Q13153 3/20 0.40
PAK3 O75914 2/20 0.40
PAK2 Q13177 2/20 0.40
JAK3 P52333 2/20 0.40
JAK2 O60674 1/20 0.39
BRD4 O60885 1/20 0.39
TNK2 Q07912 5/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15035064 0.90 PKN1 (0.47) PKN1PAK4MAP4K1WEE1PAK1
SCHEMBL15034891 0.84 PKN1 (0.44) PKN1PAK4MAP4K1WEE1PAK1
SCHEMBL15035870 0.78 PKN1 (0.42) PKN1PAK4MAP4K1WEE1PAK1
SCHEMBL15035755 0.78 PAK4 (0.45) PKN1PAK4MAP4K1WEE1PTK2
SCHEMBL15034957 0.76 PAK4 (0.46) PKN1PAK4MAP4K1WEE1JAK3
SCHEMBL15280146 0.76 JAK2 (0.47) PKN1PAK4MAP4K1WEE1PTK2
SCHEMBL15041611 0.75 PAK4 (0.47) PKN1PAK4MAP4K1WEE1PTK2
SCHEMBL15034999 0.75 TNK2 (0.41) PKN1PAK4WEE1PAK1PAK3
SCHEMBL15034806 0.75 PRKCZ (0.38) PKN1PAK1PAK3PAK2TNK2
SCHEMBL15035832 0.74 PAK4 (0.47) PKN1PAK4MAP4K1WEE1PTK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 PKN1 604/4885PAK4 5/4885MAP4K1 27/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK4 5/4885MAP4K1 84/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.